Accession Number:

ADA250855

Title:

Rotational Barriers in Model Compounds of Poly (Vinyl Chloride): 2- Chlorobutane and 1,3,5,7,9,11-Hexachlorododecane

Descriptive Note:

Final rept. May-Aug 1991,

Corporate Author:

BATTELLE MEMORIAL INST RESEARCH TRIANGLE PARK NC

Personal Author(s):

• Famini, G. R.
• Jensen, J. O.
• Krishnan, P. N.
• Burke, L. A.

Report Date:

1992-03-01

Pagination or Media Count:

20.0

Abstract:

Rotational barriers and conformational energy differences have been calculated for 2-chlorobutane and 1,3,5,7,9,11-hexachlorododecane. These are considered as model compounds for syndiotactic poly vinyl chloride. The theoretical methods include high level ab initio SCF and configuration interaction methods. Accessability to gauche and gauche states in the polymer are in light of these model compounds.

Descriptors:

• *POLYVINYL CHLORIDE
• *INTERACTIONS
• ENERGY
• LIGHT
• BARRIERS
• CHLORIDES
• CHLORINE COMPOUNDS
• BUTANES
• POLYMERS
• MODELS
• CONFIGURATIONS

Subject Categories:

• Organic Chemistry
• Physical Chemistry
• Polymer Chemistry
• Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE